N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide

C17H21F3N2O2 — CID 18147759

IUPACN-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-7-4-8-14(11-13)22-15(23)9-10-21-16(24)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,21,24)(H,22,23)
InChIKeyHMVMKUATYQTRRS-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.04
Rot. Bonds5

About N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide

N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide (PubChem CID 18147759) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
PubChem CID18147759
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-7-4-8-14(11-13)22-15(23)9-10-21-16(24)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,21,24)(H,22,23)
InChIKeyHMVMKUATYQTRRS-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
N-[(1R,3S)-3-fluorocyclohexyl]benzamide
CID 162413699
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18169395
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide (CID 18147759) is N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide?
The InChIKey is HMVMKUATYQTRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)13-7-4-8-14(11-13)22-15(23)9-10-21-16(24)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide?
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide has a molecular weight of 342.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide is sourced from PubChem (CID 18147759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).